Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNK | O75909 | 3/20 | 0.35 |
| ▸ | CDK12 | Q9NYV4 | 3/20 | 0.35 |
| ▸ | CDK1 | P06493 | 4/20 | 0.35 |
| ▸ | CDK2 | P24941 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.34 |
| ▸ | ATR | Q13535 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.34 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | GHSR | Q92847 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4112035 | 0.92 | CYP2C9 (0.44) | CYP2C9CYP2C19 | |
| SCHEMBL11947385 | 0.90 | ROCK2 (0.38) | CCNKCDK12CDK1CDK2CYP2C9 | |
| SCHEMBL11948008 | 0.89 | LRRK2 (0.38) | CDK1CDK2CYP2C9CYP2C19LRRK2 | |
| SCHEMBL10255552 | 0.85 | CYP2C9 (0.40) | CDK1CDK2CYP2C9CYP2C19CCNB2 | |
| SCHEMBL10255242 | 0.83 | CYP2C9 (0.40) | CDK1CDK2CYP2C9CYP2C19CCNB2 | |
| SCHEMBL13561387 | 0.83 | CYP2C9 (0.46) | CYP2C9CYP2C19 | |
| SCHEMBL4098258 | 0.83 | CYP2C9 (0.43) | CYP2C9CYP2C19 | |
| SCHEMBL13561279 | 0.83 | CDK2 (0.43) | CDK1CDK2CYP2C9CYP2C19LRRK2 | |
| SCHEMBL11947999 | 0.81 | CDK2 (0.39) | CDK1CDK2CYP2C9CYP2C19CCNB2 | |
| SCHEMBL4111520 | 0.80 | CYP2C9 (0.47) | CYP2C9CYP2C19LRRK2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2220091-B1 | REVERSE TRANSCRIPTASE INHIBITORS | ARDEA BIOSCIENCES INC (US) | 2012-07-25 | — | — | EP | disclosed |
| WO-2009079412-A2 | REVERSE TRANSCRIPTASE INHIBITORS | ARDEA BIOSCIENCES INC. (US) | 2009-06-25 | — | — | WO | disclosed |